(5-methyl-2-propan-2-ylcyclohexyl) N-carbamoylcarbamate

C12H22N2O3 — CID 121007431

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) N-carbamoylcarbamate
SMILESCC1CCC(C(C)C)C(OC(=O)NC(N)=O)C1
InChIInChI=1S/C12H22N2O3/c1-7(2)9-5-4-8(3)6-10(9)17-12(16)14-11(13)15/h7-10H,4-6H2,1-3H3,(H3,13,14,15,16)
InChIKeyVXDRVFNPIUKYNB-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.25
Rot. Bonds2

About (5-methyl-2-propan-2-ylcyclohexyl) N-carbamoylcarbamate

(5-methyl-2-propan-2-ylcyclohexyl) N-carbamoylcarbamate (PubChem CID 121007431) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) N-carbamoylcarbamate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) N-carbamoylcarbamate
PubChem CID121007431
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) N-carbamoylcarbamate
SMILESCC1CCC(C(C)C)C(OC(=O)NC(N)=O)C1
InChIInChI=1S/C12H22N2O3/c1-7(2)9-5-4-8(3)6-10(9)17-12(16)14-11(13)15/h7-10H,4-6H2,1-3H3,(H3,13,14,15,16)
InChIKeyVXDRVFNPIUKYNB-UHFFFAOYSA-N
XLogP2.25
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-methyl-2-propan-2-ylcyclohexyl) N-carbamoylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-(2,2,2-trifluoroacetyl)carbamate
CID 42335800
[(2S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138993
[(1S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138995
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanedioate
CID 101364051
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate
CID 92975131
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dihydroxyacetate
CID 51407482
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanedioate
CID 14226058
1-O-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-O-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,3S)-2,3-dihydroxybutanedioate
CID 11887456
[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-hydroxypropanoate
CID 42531163
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate
CID 13308514
[(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate
CID 54670369
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-hydroxyethyl)carbamate
CID 46893858

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-carbamoylcarbamate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-carbamoylcarbamate (CID 121007431) is (5-methyl-2-propan-2-ylcyclohexyl) N-carbamoylcarbamate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) N-carbamoylcarbamate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) N-carbamoylcarbamate is CC1CCC(C(C)C)C(OC(=O)NC(N)=O)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) N-carbamoylcarbamate?
The InChIKey is VXDRVFNPIUKYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-7(2)9-5-4-8(3)6-10(9)17-12(16)14-11(13)15/h7-10H,4-6H2,1-3H3,(H3,13,14,15,16).
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) N-carbamoylcarbamate?
(5-methyl-2-propan-2-ylcyclohexyl) N-carbamoylcarbamate has a molecular weight of 242.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) N-carbamoylcarbamate is sourced from PubChem (CID 121007431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).